MolNFT v1 · #103376 · protein
Structure of the E502A variant of SACTELAM55A from streptomyces sp. sirexaa-E in complex with glucose
4PEX · Putative secreted protein: “Structure of the E502A variant of SACTELAM55A from streptomyces sp. sirexaa-E in complex with glucose”. X-ray diffraction, 1 ligand (BGC), 7 pockets (best druggability 0.75). MolNFT v1 #103376 on…
- PDB
- 4PEX
- Type
- protein
- Length
- 1,099 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative secreted protein
- UniProt
- G2NFJ9
- Ligands
- BGC
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative secreted protein | protein | 548 | 6% helix, 45% strand | G2NFJ9 |
| B | Putative secreted protein | protein | 551 | 6% helix, 45% strand | G2NFJ9 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · chains B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.75 | 0.78 | 99 | EDO |
| 2 | 67 | 0.74 | 0.98 | 27 | empty |
| 3 | 59 | 0.73 | 0.99 | 26 | empty |
| 4 | 189 | 0.58 | 0.81 | 28 | BGC |
| 5 | 184 | 0.55 | 0.79 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 402 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4PEX · Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- G2NFJ9 · AlphaFold monomer V2.0 prediction for exo-beta-1,3-glucanase (G2NFJ9) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt G2NFJ9
- Elsewhere: RCSB PDB 4PEX · PDBe 4PEX · UniProt G2NFJ9
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